(2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol

C20H32N2O10 — CID 51443485

IUPAC(2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol
SMILESCc1cc(N[C@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)c(N[C@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]2O)cc1C
InChIInChI=1S/C20H32N2O10/c1-7-3-9(21-19-15(29)13(27)17(31-19)11(25)5-23)10(4-8(7)2)22-20-16(30)14(28)18(32-20)12(26)6-24/h3-4,11-30H,5-6H2,1-2H3/t11-,12-,13-,14+,15-,16+,17-,18+,19+,20+/m1/s1
InChIKeyGHYMWNBYPHIPHA-GMSYTUNFSA-N
MW460.48 g/mol
LogP-3.27
Rot. Bonds8

About (2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol

(2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol (PubChem CID 51443485) has the molecular formula C20H32N2O10 and a molecular weight of 460.48 g/mol. Its IUPAC name is (2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol
PubChem CID51443485
Molecular FormulaC20H32N2O10
Molecular Weight460.48 g/mol
Exact Mass460.21
IUPAC Name(2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol
SMILESCc1cc(N[C@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)c(N[C@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]2O)cc1C
InChIInChI=1S/C20H32N2O10/c1-7-3-9(21-19-15(29)13(27)17(31-19)11(25)5-23)10(4-8(7)2)22-20-16(30)14(28)18(32-20)12(26)6-24/h3-4,11-30H,5-6H2,1-2H3/t11-,12-,13-,14+,15-,16+,17-,18+,19+,20+/m1/s1
InChIKeyGHYMWNBYPHIPHA-GMSYTUNFSA-N
XLogP-3.27
TPSA204.36 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500460.48
LogP ≤ 5-3.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze (2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol?
The IUPAC name of (2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol (CID 51443485) is (2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol?
The canonical SMILES for (2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol is Cc1cc(N[C@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)c(N[C@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]2O)cc1C.
What is the InChIKey of (2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol?
The InChIKey is GHYMWNBYPHIPHA-GMSYTUNFSA-N. The full InChI is InChI=1S/C20H32N2O10/c1-7-3-9(21-19-15(29)13(27)17(31-19)11(25)5-23)10(4-8(7)2)22-20-16(30)14(28)18(32-20)12(26)6-24/h3-4,11-30H,5-6H2,1-2H3/t11-,12-,13-,14+,15-,16+,17-,18+,19+,20+/m1/s1.
What are the key properties of (2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol?
(2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol has a molecular weight of 460.48 g/mol, XLogP of -3.27, 8 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]amino]-4,5-dimethylanilino]oxolane-3,4-diol is sourced from PubChem (CID 51443485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).